SCHEMBL25827545

SCHEMBL25827545

Nc1ccc(N2CCC(N3CCC(=O)CC3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 12/20 0.56
L3MBTL3 Q96JM7 12/20 0.56
TP53BP1 Q12888 3/20 0.50
MBTD1 Q05BQ5 3/20 0.47
L3MBTL4 Q8NA19 1/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2236451 0.83 L3MBTL3 (0.81) L3MBTL1L3MBTL3TP53BP1MBTD1L3MBTL4
SCHEMBL77364 0.82 MAPT (0.57) L3MBTL1ALDH1A1MAPTKDM4EGAA
SCHEMBL3575178 0.81 L3MBTL3 (0.79) L3MBTL1L3MBTL3TP53BP1MBTD1L3MBTL4
SCHEMBL77669 0.81 L3MBTL3 (0.79) L3MBTL1L3MBTL3TP53BP1MBTD1L3MBTL4
Hydrochloric Acid SCHEMBL6073799 0.81 MAPT (0.61) L3MBTL1ALDH1A1MAPTKDM4EGAA
SCHEMBL77976 0.80 L3MBTL3 (0.59) L3MBTL1L3MBTL3TP53BP1MBTD1L3MBTL4
SCHEMBL1047477 0.79 MAPT (0.57) L3MBTL1L3MBTL3MBTD1ALDH1A1MAPT
SCHEMBL22174801 0.79 L3MBTL1 (0.58) L3MBTL1L3MBTL3TP53BP1MBTD1L3MBTL4
SCHEMBL16446654 0.79 MAPT (0.46) L3MBTL1L3MBTL3TP53BP1MBTD1L3MBTL4
SCHEMBL156422 0.79 ALDH1A1 (0.68) L3MBTL1L3MBTL3TP53BP1MBTD1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125944-A1 COMPOUND CONTAINING HETEROCYCLIC RING 正大天晴药业集团股份有限公司 2023-07-06 WO disclosed